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Title: Materials Data on K2ZnBr4 by Materials Project

Abstract

K2ZnBr4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of K–Br bond distances ranging from 3.41–3.80 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of K–Br bond distances ranging from 3.32–3.86 Å. Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.43–2.45 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to three K1+ and one Zn2+ atom. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to three K1+ and one Zn2+ atom. In the third Br1- site, Br1- is bonded in a 5-coordinate geometry to four K1+ and one Zn2+ atom. In the fourth Br1- site, Br1- is bonded to four K1+ and one Zn2+ atom to form distorted corner-sharing BrK4Zn square pyramids.

Authors:
Publication Date:
Other Number(s):
mp-23535
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K2ZnBr4; Br-K-Zn
OSTI Identifier:
1199574
DOI:
https://doi.org/10.17188/1199574

Citation Formats

The Materials Project. Materials Data on K2ZnBr4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199574.
The Materials Project. Materials Data on K2ZnBr4 by Materials Project. United States. doi:https://doi.org/10.17188/1199574
The Materials Project. 2020. "Materials Data on K2ZnBr4 by Materials Project". United States. doi:https://doi.org/10.17188/1199574. https://www.osti.gov/servlets/purl/1199574. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199574,
title = {Materials Data on K2ZnBr4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2ZnBr4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of K–Br bond distances ranging from 3.41–3.80 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of K–Br bond distances ranging from 3.32–3.86 Å. Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.43–2.45 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to three K1+ and one Zn2+ atom. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to three K1+ and one Zn2+ atom. In the third Br1- site, Br1- is bonded in a 5-coordinate geometry to four K1+ and one Zn2+ atom. In the fourth Br1- site, Br1- is bonded to four K1+ and one Zn2+ atom to form distorted corner-sharing BrK4Zn square pyramids.},
doi = {10.17188/1199574},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}